AG001VYF

16188-55-9 | 4-(Methylthio)Phenylacetic Acid

AG001VYF

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CAS Number	16188-55-9
Catalog Number	AG001VYF(AGN-PC-0LKKWU)
Chemical Name	4-(Methylthio)Phenylacetic Acid
IUPAC Name	2-(4-methylsulfanylphenyl)acetic acid
InChI	InChI=1S/C9H10O2S/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key	AHMLFHMRRBJCRM-UHFFFAOYSA-N
MDL Number	MFCD00192325
Molecular Formula	C9H10O2S
Molecular Weight	182.2395
SMILES	O=C(O)CC1=CC=C(SC)C=C1
Synonyms	4-(Methylthio)phenylacetic acid, 16188-55-9, 4-Methylthiophenylacetic acid, 2-(4-(methylthio)phenyl)acetic acid, Benzeneacetic acid, 4-(methylthio)-, 2-(4-methylsulfanylphenyl)acetic Acid, (4-Methylsulfanylphenyl)acetic acid, MFCD00192325, (4-Methylsulfanyl-phenyl)-acetic acid, 2-[4-(methylsulfanyl)phenyl]acetic acid, 2-(4-methylthiophenyl)acetic acid, 4-Methylthiophenylaceticacid, AC1NLKSL, PubChem10785, AC1Q4GZ9, SCHEMBL46640, 4(methylthio)phenylacetic acid, 4-(Methylthio)benzeneacetic acid, CTK3I9799, 4-(methylthio) phenylacetic acid, 4-(methylthio)phenyl acetic acid, DTXSID20407239, AHMLFHMRRBJCRM-UHFFFAOYSA-N, ZINC155934, CS-B0762, 4-(methylmercapto)phenyl acetic acid, CM-796, GEO-01963, SBB068771, AKOS000279298, 4-(Methylthio)phenylacetic acid, 99%, MCULE-6921616947, RP24342, VZ27927, AJ-13648, AK-45539, AS-11895, SC-18858, AB0010952, DB-043503, RT-004585, A3592, BB 0248983, FT-0082941, FT-0637332, ST50827583, [4-(METHYLSULFANYL)PHENYL]ACETIC ACID, EN300-79646, M-2567, 188M559, J-009871, S01-0185, F2182-0137, Z1270443866, C9H10O2S, 4-Methylthio phenyl acetic acid, 2-Pyridineacetic acid hydrochloride, ACN-041352, CID4983912,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.237g/mol
Monoisotopic Mass	182.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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